3-[(4-methoxycarbonylphenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 3-[(4-methoxycarbonylphenyl)methyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 3-[(4-methoxycarbonylphenyl)methyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[(4-methoxycarbonylphenyl)methyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 3-[(4-methoxycarbonylphenyl)methyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(4-carbomethoxybenzyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C17H13N2O5S- MolecularWeight: 357.36052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)OC)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC3=CC=C(C=C3)C(=O)OC)C(=O)[O-]

InChI

InChI=1S/C17H14N2O5S/c1-9-12-14(25-13(9)16(21)22)18-8-19(15(12)20)7-10-3-5-11(6-4-10)17(23)24-2/h3-6,8H,7H2,1-2H3,(H,21,22)/p-1